CID 112676

Acetamide, n-(2-((2,6-dibromo-4-nitrophenyl)azo)-5-((2,3-dihydroxypropyl)ethylamino)phenyl)-

Structural Information

Molecular Formula
C19H21Br2N5O5
SMILES
CCN(CC(CO)O)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)NC(=O)C
InChI
InChI=1S/C19H21Br2N5O5/c1-3-25(9-14(29)10-27)12-4-5-17(18(8-12)22-11(2)28)23-24-19-15(20)6-13(26(30)31)7-16(19)21/h4-8,14,27,29H,3,9-10H2,1-2H3,(H,22,28)
InChIKey
ITTWJNZGMUYBLD-UHFFFAOYSA-N
Compound name
N-[2-[(2,6-dibromo-4-nitrophenyl)diazenyl]-5-[2,3-dihydroxypropyl(ethyl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.99097 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.99825 202.4
[M+Na]+ 579.98019 205.5
[M-H]- 555.98369 210.3
[M+NH4]+ 575.02479 210.3
[M+K]+ 595.95413 187.0
[M+H-H2O]+ 539.98823 205.4
[M+HCOO]- 601.98917 218.6
[M+CH3COO]- 616.00482 245.6
[M+Na-2H]- 577.96564 203.8
[M]+ 556.99042 235.6
[M]- 556.99152 235.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.